# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95246173
_cell_length_b   12.85049061
_cell_length_c   46.72976651
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm32 Al32'
_cell_volume   3574.45580064
_cell_formula_units_Z   32
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sm  Sm1  1  0.636940  0.981691  0.300931  1
  Sm  Sm2  1  0.865292  0.225275  0.336765  1
  Sm  Sm3  1  0.329476  0.373509  0.360621  1
  Sm  Sm4  1  0.122988  0.817498  0.281691  1
  Sm  Sm5  1  0.878166  0.998641  0.378032  1
  Sm  Sm6  1  0.622749  0.454463  0.297083  1
  Sm  Sm7  1  0.107573  0.592477  0.320958  1
  Sm  Sm8  1  0.344141  0.848941  0.357656  1
  Sm  Sm9  1  0.670716  0.777036  0.415167  1
  Sm  Sm10  1  0.884203  0.035931  0.451205  1
  Sm  Sm11  1  0.333796  0.181653  0.470654  1
  Sm  Sm12  1  0.115079  0.631980  0.394234  1
  Sm  Sm13  1  0.881714  0.803858  0.488165  1
  Sm  Sm14  1  0.669399  0.257419  0.411730  1
  Sm  Sm15  1  0.118226  0.403247  0.432488  1
  Sm  Sm16  1  0.331903  0.659951  0.467629  1
  Sm  Sm17  1  0.667781  0.583971  0.526442  1
  Sm  Sm18  1  0.881458  0.840675  0.561583  1
  Sm  Sm19  1  0.330285  0.986503  0.582341  1
  Sm  Sm20  1  0.117970  0.440063  0.505906  1
  Sm  Sm21  1  0.884605  0.611942  0.599837  1
  Sm  Sm22  1  0.665888  0.062268  0.523417  1
  Sm  Sm23  1  0.115481  0.207991  0.542866  1
  Sm  Sm24  1  0.328968  0.466886  0.578904  1
  Sm  Sm25  1  0.655544  0.394981  0.636415  1
  Sm  Sm26  1  0.892112  0.651444  0.673113  1
  Sm  Sm27  1  0.376935  0.789459  0.696988  1
  Sm  Sm28  1  0.121519  0.245281  0.616039  1
  Sm  Sm29  1  0.876696  0.426423  0.712380  1
  Sm  Sm30  1  0.670208  0.870413  0.633450  1
  Sm  Sm31  1  0.134392  0.018647  0.657306  1
  Sm  Sm32  1  0.362744  0.262231  0.693140  1
  Al  Al33  1  0.385741  0.209073  0.307266  1
  Al  Al34  1  0.591561  0.614942  0.357247  1
  Al  Al35  1  0.129406  0.021908  0.318479  1
  Al  Al36  1  0.840968  0.441219  0.366553  1
  Al  Al37  1  0.403596  0.109576  0.359268  1
  Al  Al38  1  0.599612  0.715054  0.303348  1
  Al  Al39  1  0.118669  0.371341  0.295192  1
  Al  Al40  1  0.855708  0.792838  0.345403  1
  Al  Al41  1  0.408642  0.017386  0.414334  1
  Al  Al42  1  0.588830  0.420905  0.468993  1
  Al  Al43  1  0.154715  0.844915  0.424977  1
  Al  Al44  1  0.847107  0.250288  0.480051  1
  Al  Al45  1  0.410111  0.919959  0.469490  1
  Al  Al46  1  0.593184  0.517001  0.412895  1
  Al  Al47  1  0.151062  0.189300  0.402529  1
  Al  Al48  1  0.845508  0.591727  0.457831  1
  Al  Al49  1  0.410854  0.823016  0.525078  1
  Al  Al50  1  0.591042  0.226535  0.579737  1
  Al  Al51  1  0.154176  0.652195  0.536240  1
  Al  Al52  1  0.848622  0.054621  0.591542  1
  Al  Al53  1  0.406500  0.726920  0.581176  1
  Al  Al54  1  0.589573  0.323962  0.524581  1
  Al  Al55  1  0.152577  0.993634  0.514020  1
  Al  Al56  1  0.844970  0.399006  0.569094  1
  Al  Al57  1  0.408123  0.628979  0.636824  1
  Al  Al58  1  0.613943  0.034848  0.686805  1
  Al  Al59  1  0.143976  0.451083  0.648668  1
  Al  Al60  1  0.881015  0.872580  0.698879  1
  Al  Al61  1  0.400072  0.528867  0.690723  1
  Al  Al62  1  0.596088  0.134346  0.634803  1
  Al  Al63  1  0.158716  0.802702  0.627518  1
  Al  Al64  1  0.870278  0.222014  0.675592  1
